4-Hydroxybenzophenone

Synonyms: 4-Hydroxybenzophenone, "4-Benzoylphenol", "(4-Hydroxyphenyl)(phenyl)methanone", "p-Benzoylphenol", "p-hydroxybenzophenone", "(4-Hydroxyphenyl)phenylmethanone", "4'-Hydroxybenzophenone", "4-hydroxyphenyl phenyl ketone", "(4-hydroxyphenyl)-phenylmethanone", "(4-hydroxyphenyl)-phenyl-methanone"

Source: 4-hydroxybenzophenone is an important metabolite of benzophenone, which is widely used in organic chemistry.

Identifiers:

IUPAC Name: (4-hydroxyphenyl)-phenylmethanone
CAS Number: 1137-42-4
PubChem ID: 14347
InChiKey: NPFYZDNDJHZQKY-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)O

Structural Properties:

Molecular Formula: C₁₃H₁₀O₂
Molecular Weight: 198,220

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 15

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Evidence Supporting This Chemical as an Emerging Contaminant

Banjac, Z., Ginebreda, A., Kuzmanovic, M., Marc?, R., Nadal, M., Riera, J. M., & Barcel?, D. (2015). Emission factor estimation of ca. 160 emerging organic microcontaminants by inverse modeling in a Mediterranean river basin (Llobregat, NE Spain). Science of the Total Environment, 520, 241-252.

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